data_AVS_bmrb_pdb_report_17953 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17953 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 108 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 17953 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 108 ARG C 174.188 . 176.41 2.03 2.7370e-01 17953 1 1 1 1 108 ARG CA 56.652 . 56.77 2.31 9.5926e-01 17953 1 1 1 1 108 ARG CB 28.598 . 30.7 1.83 2.5071e-01 17953 1 1 1 1 108 ARG CG 28.631 . 27.21 1.2 2.3635e-01 17953 1 1 1 1 108 ARG CD 41.814 . 43.16 0.88 1.2613e-01 17953 1 1 1 1 108 ARG H 8.223 . 8.24 0.61 9.7777e-01 17953 1 1 1 1 108 ARG HA 2.826 . 4.3 0.46 1.3537e-03 17953 1 1 1 1 108 ARG HB2 0.501 S 1.79 0.27 1.8054e-06 17953 1 1 1 1 108 ARG HB3 0.832 S 1.76 0.28 9.1878e-04 17953 1 1 1 1 108 ARG HG2 -0.512 S 1.57 0.27 1.2473e-14 17953 1 1 1 1 108 ARG HG3 -0.512 S 1.54 0.29 1.4852e-12 17953 1 1 1 1 108 ARG HD2 2.171 S 3.12 0.24 7.6802e-05 17953 1 1 1 1 108 ARG HD3 1.085 S 3.1 0.26 9.1893e-15 17953 1 1 1 1 108 ARG HE 6.294 . 7.4 0.63 7.9164e-02 17953 1 1 1 1 108 ARG N 131.348 . 120.8 3.68 4.1529e-03 17953 1 1 1 1 108 ARG NE 115.280 A 84.63 1.68 2.3072e-74 17953 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 108 ARG CYS 0.55 17953 1 1 1 1 108 ARG ARG 0.21 17953 1 1 1 1 108 ARG LYS 0.17 17953 1 1 1 1 108 ARG LEU 0.04 17953 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17953 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 17953 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17953 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17953 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17953 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_